SCHEMBL4594629

SCHEMBL4594629

CC1(C)CC2CC(C)(CN2C(=O)C2=CCC3C(=C2)C=CN3CCc2nc(C3CC3)no2)C1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.39
ALDH1A1 P00352 4/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAPT P10636 2/20 0.38
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
HPGD P15428 1/20 0.38
POLB P06746 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
HTT P42858 3/20 0.36
TSHR P16473 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
AVPR2 P30518 1/20 0.35
AVPR1A P37288 1/20 0.35
CNR2 P34972 1/20 0.35
MAPK1 P28482 1/20 0.34
HSD11B1 P28845 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4593612 0.90 LMNA (0.42) LMNAALDH1A1SMN1; SMN2MAPTMEN1
SCHEMBL4595070 0.84 LMNA (0.42) LMNAALDH1A1SMN1; SMN2MAPTMEN1
SCHEMBL1306910 0.72 MEN1 (0.45) LMNAALDH1A1MAPTMEN1KMT2A
SCHEMBL4595102 0.69 LMNA (0.44) LMNAALDH1A1MAPTMEN1KMT2A
SCHEMBL1306946 0.61 LMNA (0.48) LMNAALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL12576936 0.57 AVPR1A (0.74) LMNAALDH1A1MEN1KMT2AHTT
SCHEMBL2895098 0.56 ALDH1A1 (0.73) LMNAALDH1A1MEN1KMT2ANPSR1
SCHEMBL3455628 0.56 ALDH1A1 (0.69) LMNAALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL3455001 0.56 MEN1 (0.54) LMNAALDH1A1SMN1; SMN2MAPTMEN1
SCHEMBL3456297 0.56 MEN1 (0.54) LMNAALDH1A1SMN1; SMN2MAPTMEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1945207-A2 PHARMACEUTICAL USE OF SUBSTITUTED AMIDES Transtech Pharma, Inc. (US) 2008-07-23 EP disclosed
WO-2007051811-A2 PHARMACEUTICAL USE OF SUBSTITUTED AMIDES TRANSTECH PHARMA (US) 2007-05-10 WO disclosed